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CHEBI:175770 - Etiocholanolone sulfate

ChEBI IDCHEBI:175770
ChEBI NameEtiocholanolone sulfate
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SubmitterMetaboLights
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FormulaC19H30O5S
Net Charge0
Average Mass370.511
Monoisotopic Mass370.18140
SMILES[H][C@]12CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C2
InChIInChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14?,15?,16?,18+,19+/m1/s1
InChIKeyZMITXKRGXGRMKS-ZQSLQREJSA-N
ChEBI Ontology
Outgoing Relation(s)
Etiocholanolone sulfate (CHEBI:175770) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
[(3R,5R,10S,13S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulate
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HMDB0013232HMDB
LMST05020044LIPID MAPS